{
 "metadata": {
  "language_info": {
   "codemirror_mode": {
    "name": "ipython",
    "version": 3
   },
   "file_extension": ".py",
   "mimetype": "text/x-python",
   "name": "python",
   "nbconvert_exporter": "python",
   "pygments_lexer": "ipython3",
   "version": "3.7.1-final"
  },
  "orig_nbformat": 2,
  "kernelspec": {
   "name": "Python 3.7.1 64-bit ('base': conda)",
   "display_name": "Python 3.7.1 64-bit ('base': conda)",
   "metadata": {
    "interpreter": {
     "hash": "2266c607543d224cb119288ea55888d6fda87cc9a4c78c02ed099d39082a76ce"
    }
   }
  }
 },
 "nbformat": 4,
 "nbformat_minor": 2,
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [],
   "source": [
    "import sys; sys.path.append(\"C:/GitWorks/pdb-profiling\")\n",
    "\n",
    "from pdb_profiling import default_config\n",
    "\n",
    "default_config(\"C:/GitWorks/pdb-profiling/test/demo\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [],
   "source": [
    "from pdb_profiling.processors import SIFTS, SIFTSs, PDB, PDBs"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [
    {
     "output_type": "stream",
     "name": "stdout",
     "text": [
      "UNK_COUNT == 0 and ca_p_only == False and identity >=0.9 and repeated == False and reversed == False and OBS_COUNT > 20\n(experimental_method == \"X-ray diffraction\" and resolution <= 3) or experimental_method == \"Solution NMR\"\n"
     ]
    }
   ],
   "source": [
    "print(SIFTS.chain_filter)\n",
    "print(SIFTS.entry_filter)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [],
   "source": [
    "SIFTS.chain_filter, SIFTS.entry_filter = '', ''"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [],
   "source": [
    "demo = SIFTS('O15350')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "metadata": {},
   "outputs": [
    {
     "output_type": "execute_result",
     "data": {
      "text/plain": [
       "    UniProt chain_id  entity_id  identity  is_canonical pdb_id struct_asym_id  \\\n",
       "0    O15350        A          1      0.99          True   3vd2              A   \n",
       "1    O15350        B          1      0.99          True   3vd2              B   \n",
       "2    O15350        C          1      0.99          True   3vd2              C   \n",
       "3    O15350        D          1      0.99          True   3vd2              D   \n",
       "4    O15350        I          1      0.99          True   3vd2              E   \n",
       "..      ...      ...        ...       ...           ...    ...            ...   \n",
       "109  O15350        F          1      0.92          True   5hob              F   \n",
       "110  O15350        G          1      0.92          True   5hob              G   \n",
       "111  O15350        H          1      0.92          True   5hob              H   \n",
       "112  O15350        A          1      0.92          True   5hoc              A   \n",
       "113  O15350        B          1      0.92          True   5hoc              B   \n",
       "\n",
       "      pdb_range    unp_range   Entry  ... experimental_method_class  \\\n",
       "0    [[13,210]]  [[115,312]]  O15350  ...                     x-ray   \n",
       "1    [[13,210]]  [[115,312]]  O15350  ...                     x-ray   \n",
       "2    [[13,210]]  [[115,312]]  O15350  ...                     x-ray   \n",
       "3    [[13,210]]  [[115,312]]  O15350  ...                     x-ray   \n",
       "4    [[13,210]]  [[115,312]]  O15350  ...                     x-ray   \n",
       "..          ...          ...     ...  ...                       ...   \n",
       "109    [[3,50]]  [[351,398]]  O15350  ...                     x-ray   \n",
       "110    [[3,50]]  [[351,398]]  O15350  ...                     x-ray   \n",
       "111    [[3,50]]  [[351,398]]  O15350  ...                     x-ray   \n",
       "112    [[3,50]]  [[351,398]]  O15350  ...                     x-ray   \n",
       "113    [[3,50]]  [[351,398]]  O15350  ...                     x-ray   \n",
       "\n",
       "    experimental_method  multi_method  revision_date  deposition_date  \\\n",
       "0     X-ray diffraction         False       20120725         20120104   \n",
       "1     X-ray diffraction         False       20120725         20120104   \n",
       "2     X-ray diffraction         False       20120725         20120104   \n",
       "3     X-ray diffraction         False       20120725         20120104   \n",
       "4     X-ray diffraction         False       20120725         20120104   \n",
       "..                  ...           ...            ...              ...   \n",
       "109   X-ray diffraction         False       20161019         20160119   \n",
       "110   X-ray diffraction         False       20161019         20160119   \n",
       "111   X-ray diffraction         False       20161019         20160119   \n",
       "112   X-ray diffraction         False       20161130         20160119   \n",
       "113   X-ray diffraction         False       20161130         20160119   \n",
       "\n",
       "    1/resolution id_score COV_SCORE  select_tag  select_rank  \n",
       "0       0.250000      -65  0.532764       False           28  \n",
       "1       0.250000      -66  0.524813       False           36  \n",
       "2       0.250000      -67  0.532764       False           29  \n",
       "3       0.250000      -68  0.516862       False           41  \n",
       "4       0.250000      -73  0.532764       False           30  \n",
       "..           ...      ...       ...         ...          ...  \n",
       "109     0.819663      -70  0.099251       False           64  \n",
       "110     0.819663      -71  0.128801       False           53  \n",
       "111     0.819663      -72  0.104949       False           59  \n",
       "112     0.735252      -65  0.104949       False           60  \n",
       "113     0.735252      -66  0.104949       False           61  \n",
       "\n",
       "[114 rows x 48 columns]"
      ],
      "text/html": "<div>\n<style scoped>\n    .dataframe tbody tr th:only-of-type {\n        vertical-align: middle;\n    }\n\n    .dataframe tbody tr th {\n        vertical-align: top;\n    }\n\n    .dataframe thead th {\n        text-align: right;\n    }\n</style>\n<table border=\"1\" class=\"dataframe\">\n  <thead>\n    <tr style=\"text-align: right;\">\n      <th></th>\n      <th>UniProt</th>\n      <th>chain_id</th>\n      <th>entity_id</th>\n      <th>identity</th>\n      <th>is_canonical</th>\n      <th>pdb_id</th>\n      <th>struct_asym_id</th>\n      <th>pdb_range</th>\n      <th>unp_range</th>\n      <th>Entry</th>\n      <th>...</th>\n      <th>experimental_method_class</th>\n      <th>experimental_method</th>\n      <th>multi_method</th>\n      <th>revision_date</th>\n      <th>deposition_date</th>\n      <th>1/resolution</th>\n      <th>id_score</th>\n      <th>COV_SCORE</th>\n      <th>select_tag</th>\n      <th>select_rank</th>\n    </tr>\n  </thead>\n  <tbody>\n    <tr>\n      <th>0</th>\n      <td>O15350</td>\n      <td>A</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3vd2</td>\n      <td>A</td>\n      <td>[[13,210]]</td>\n      <td>[[115,312]]</td>\n      <td>O15350</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20120725</td>\n      <td>20120104</td>\n      <td>0.250000</td>\n      <td>-65</td>\n      <td>0.532764</td>\n      <td>False</td>\n      <td>28</td>\n    </tr>\n    <tr>\n      <th>1</th>\n      <td>O15350</td>\n      <td>B</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3vd2</td>\n      <td>B</td>\n      <td>[[13,210]]</td>\n      <td>[[115,312]]</td>\n      <td>O15350</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20120725</td>\n      <td>20120104</td>\n      <td>0.250000</td>\n      <td>-66</td>\n      <td>0.524813</td>\n      <td>False</td>\n      <td>36</td>\n    </tr>\n    <tr>\n      <th>2</th>\n      <td>O15350</td>\n      <td>C</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3vd2</td>\n      <td>C</td>\n      <td>[[13,210]]</td>\n      <td>[[115,312]]</td>\n      <td>O15350</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20120725</td>\n      <td>20120104</td>\n      <td>0.250000</td>\n      <td>-67</td>\n      <td>0.532764</td>\n      <td>False</td>\n      <td>29</td>\n    </tr>\n    <tr>\n      <th>3</th>\n      <td>O15350</td>\n      <td>D</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3vd2</td>\n      <td>D</td>\n      <td>[[13,210]]</td>\n      <td>[[115,312]]</td>\n      <td>O15350</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20120725</td>\n      <td>20120104</td>\n      <td>0.250000</td>\n      <td>-68</td>\n      <td>0.516862</td>\n      <td>False</td>\n      <td>41</td>\n    </tr>\n    <tr>\n      <th>4</th>\n      <td>O15350</td>\n      <td>I</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3vd2</td>\n      <td>E</td>\n      <td>[[13,210]]</td>\n      <td>[[115,312]]</td>\n      <td>O15350</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20120725</td>\n      <td>20120104</td>\n      <td>0.250000</td>\n      <td>-73</td>\n      <td>0.532764</td>\n      <td>False</td>\n      <td>30</td>\n    </tr>\n    <tr>\n      <th>...</th>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n    </tr>\n    <tr>\n      <th>109</th>\n      <td>O15350</td>\n      <td>F</td>\n      <td>1</td>\n      <td>0.92</td>\n      <td>True</td>\n      <td>5hob</td>\n      <td>F</td>\n      <td>[[3,50]]</td>\n      <td>[[351,398]]</td>\n      <td>O15350</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20161019</td>\n      <td>20160119</td>\n      <td>0.819663</td>\n      <td>-70</td>\n      <td>0.099251</td>\n      <td>False</td>\n      <td>64</td>\n    </tr>\n    <tr>\n      <th>110</th>\n      <td>O15350</td>\n      <td>G</td>\n      <td>1</td>\n      <td>0.92</td>\n      <td>True</td>\n      <td>5hob</td>\n      <td>G</td>\n      <td>[[3,50]]</td>\n      <td>[[351,398]]</td>\n      <td>O15350</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20161019</td>\n      <td>20160119</td>\n      <td>0.819663</td>\n      <td>-71</td>\n      <td>0.128801</td>\n      <td>False</td>\n      <td>53</td>\n    </tr>\n    <tr>\n      <th>111</th>\n      <td>O15350</td>\n      <td>H</td>\n      <td>1</td>\n      <td>0.92</td>\n      <td>True</td>\n      <td>5hob</td>\n      <td>H</td>\n      <td>[[3,50]]</td>\n      <td>[[351,398]]</td>\n      <td>O15350</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20161019</td>\n      <td>20160119</td>\n      <td>0.819663</td>\n      <td>-72</td>\n      <td>0.104949</td>\n      <td>False</td>\n      <td>59</td>\n    </tr>\n    <tr>\n      <th>112</th>\n      <td>O15350</td>\n      <td>A</td>\n      <td>1</td>\n      <td>0.92</td>\n      <td>True</td>\n      <td>5hoc</td>\n      <td>A</td>\n      <td>[[3,50]]</td>\n      <td>[[351,398]]</td>\n      <td>O15350</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20161130</td>\n      <td>20160119</td>\n      <td>0.735252</td>\n      <td>-65</td>\n      <td>0.104949</td>\n      <td>False</td>\n      <td>60</td>\n    </tr>\n    <tr>\n      <th>113</th>\n      <td>O15350</td>\n      <td>B</td>\n      <td>1</td>\n      <td>0.92</td>\n      <td>True</td>\n      <td>5hoc</td>\n      <td>B</td>\n      <td>[[3,50]]</td>\n      <td>[[351,398]]</td>\n      <td>O15350</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20161130</td>\n      <td>20160119</td>\n      <td>0.735252</td>\n      <td>-66</td>\n      <td>0.104949</td>\n      <td>False</td>\n      <td>61</td>\n    </tr>\n  </tbody>\n</table>\n<p>114 rows × 48 columns</p>\n</div>"
     },
     "metadata": {},
     "execution_count": 10
    }
   ],
   "source": [
    "demo.pipe_select_mo().result()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {},
   "outputs": [
    {
     "output_type": "execute_result",
     "data": {
      "text/plain": [
       "    pdb_id Entry_1 Entry_2  assembly_id  model_id_1 chain_id_1  model_id_2  \\\n",
       "0     5hob  O15350  O15350            2           1          E           1   \n",
       "1     5hob  O15350  O15350            2           1          E           1   \n",
       "2     5hob  O15350  O15350            2           1          E           1   \n",
       "3     5hob  O15350  O15350            2           1          G           1   \n",
       "4     5hob  O15350  O15350            2           1          F           1   \n",
       "..     ...     ...     ...          ...         ...        ...         ...   \n",
       "117   2kby  O15350  O15350            0           1          A           1   \n",
       "118   2kby  O15350  O15350            0           1          B           1   \n",
       "119   2kby  O15350  O15350            0           1          C           1   \n",
       "120   2kby  O15350  O15350            0           1          B           1   \n",
       "121   2nb1  O15350  O15350            1           1          B           1   \n",
       "\n",
       "    chain_id_2 organism interaction_type  ... deposition_date_2  \\\n",
       "0            G    human               ho  ...          20160119   \n",
       "1            H    human               ho  ...          20160119   \n",
       "2            F    human               ho  ...          20160119   \n",
       "3            H    human               ho  ...          20160119   \n",
       "4            G    human               ho  ...          20160119   \n",
       "..         ...      ...              ...  ...               ...   \n",
       "117          D    human               ho  ...          20081212   \n",
       "118          C    human               ho  ...          20081212   \n",
       "119          D    human               ho  ...          20081212   \n",
       "120          D    human               ho  ...          20081212   \n",
       "121          D    human               ho  ...          20160119   \n",
       "\n",
       "     1/resolution_2  id_score_2  COV_SCORE_2 select_tag_2 select_rank_2  \\\n",
       "0          0.819663         -71     0.128801        False            53   \n",
       "1          0.819663         -72     0.104949        False            59   \n",
       "2          0.819663         -70     0.099251        False            64   \n",
       "3          0.819663         -72     0.104949        False            59   \n",
       "4          0.819663         -71     0.128801        False            53   \n",
       "..              ...         ...          ...          ...           ...   \n",
       "117             NaN         -68     0.136752        False            52   \n",
       "118             NaN         -67     0.136752        False            51   \n",
       "119             NaN         -68     0.136752        False            52   \n",
       "120             NaN         -68     0.136752        False            52   \n",
       "121             NaN         -68     0.136752        False            48   \n",
       "\n",
       "    best_select_rank unp_range_DSC i_select_tag  i_select_rank  \n",
       "0                 53           1.0        False             72  \n",
       "1                 55           1.0        False             68  \n",
       "2                 55           1.0        False             67  \n",
       "3                 53           1.0        False             74  \n",
       "4                 53           1.0        False             73  \n",
       "..               ...           ...          ...            ...  \n",
       "117               49           1.0        False             78  \n",
       "118               50           1.0        False             77  \n",
       "119               51           1.0        False             75  \n",
       "120               50           1.0        False             76  \n",
       "121               47           1.0        False             81  \n",
       "\n",
       "[122 rows x 104 columns]"
      ],
      "text/html": "<div>\n<style scoped>\n    .dataframe tbody tr th:only-of-type {\n        vertical-align: middle;\n    }\n\n    .dataframe tbody tr th {\n        vertical-align: top;\n    }\n\n    .dataframe thead th {\n        text-align: right;\n    }\n</style>\n<table border=\"1\" class=\"dataframe\">\n  <thead>\n    <tr style=\"text-align: right;\">\n      <th></th>\n      <th>pdb_id</th>\n      <th>Entry_1</th>\n      <th>Entry_2</th>\n      <th>assembly_id</th>\n      <th>model_id_1</th>\n      <th>chain_id_1</th>\n      <th>model_id_2</th>\n      <th>chain_id_2</th>\n      <th>organism</th>\n      <th>interaction_type</th>\n      <th>...</th>\n      <th>deposition_date_2</th>\n      <th>1/resolution_2</th>\n      <th>id_score_2</th>\n      <th>COV_SCORE_2</th>\n      <th>select_tag_2</th>\n      <th>select_rank_2</th>\n      <th>best_select_rank</th>\n      <th>unp_range_DSC</th>\n      <th>i_select_tag</th>\n      <th>i_select_rank</th>\n    </tr>\n  </thead>\n  <tbody>\n    <tr>\n      <th>0</th>\n      <td>5hob</td>\n      <td>O15350</td>\n      <td>O15350</td>\n      <td>2</td>\n      <td>1</td>\n      <td>E</td>\n      <td>1</td>\n      <td>G</td>\n      <td>human</td>\n      <td>ho</td>\n      <td>...</td>\n      <td>20160119</td>\n      <td>0.819663</td>\n      <td>-71</td>\n      <td>0.128801</td>\n      <td>False</td>\n      <td>53</td>\n      <td>53</td>\n      <td>1.0</td>\n      <td>False</td>\n      <td>72</td>\n    </tr>\n    <tr>\n      <th>1</th>\n      <td>5hob</td>\n      <td>O15350</td>\n      <td>O15350</td>\n      <td>2</td>\n      <td>1</td>\n      <td>E</td>\n      <td>1</td>\n      <td>H</td>\n      <td>human</td>\n      <td>ho</td>\n      <td>...</td>\n      <td>20160119</td>\n      <td>0.819663</td>\n      <td>-72</td>\n      <td>0.104949</td>\n      <td>False</td>\n      <td>59</td>\n      <td>55</td>\n      <td>1.0</td>\n      <td>False</td>\n      <td>68</td>\n    </tr>\n    <tr>\n      <th>2</th>\n      <td>5hob</td>\n      <td>O15350</td>\n      <td>O15350</td>\n      <td>2</td>\n      <td>1</td>\n      <td>E</td>\n      <td>1</td>\n      <td>F</td>\n      <td>human</td>\n      <td>ho</td>\n      <td>...</td>\n      <td>20160119</td>\n      <td>0.819663</td>\n      <td>-70</td>\n      <td>0.099251</td>\n      <td>False</td>\n      <td>64</td>\n      <td>55</td>\n      <td>1.0</td>\n      <td>False</td>\n      <td>67</td>\n    </tr>\n    <tr>\n      <th>3</th>\n      <td>5hob</td>\n      <td>O15350</td>\n      <td>O15350</td>\n      <td>2</td>\n      <td>1</td>\n      <td>G</td>\n      <td>1</td>\n      <td>H</td>\n      <td>human</td>\n      <td>ho</td>\n      <td>...</td>\n      <td>20160119</td>\n      <td>0.819663</td>\n      <td>-72</td>\n      <td>0.104949</td>\n      <td>False</td>\n      <td>59</td>\n      <td>53</td>\n      <td>1.0</td>\n      <td>False</td>\n      <td>74</td>\n    </tr>\n    <tr>\n      <th>4</th>\n      <td>5hob</td>\n      <td>O15350</td>\n      <td>O15350</td>\n      <td>2</td>\n      <td>1</td>\n      <td>F</td>\n      <td>1</td>\n      <td>G</td>\n      <td>human</td>\n      <td>ho</td>\n      <td>...</td>\n      <td>20160119</td>\n      <td>0.819663</td>\n      <td>-71</td>\n      <td>0.128801</td>\n      <td>False</td>\n      <td>53</td>\n      <td>53</td>\n      <td>1.0</td>\n      <td>False</td>\n      <td>73</td>\n    </tr>\n    <tr>\n      <th>...</th>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n    </tr>\n    <tr>\n      <th>117</th>\n      <td>2kby</td>\n      <td>O15350</td>\n      <td>O15350</td>\n      <td>0</td>\n      <td>1</td>\n      <td>A</td>\n      <td>1</td>\n      <td>D</td>\n      <td>human</td>\n      <td>ho</td>\n      <td>...</td>\n      <td>20081212</td>\n      <td>NaN</td>\n      <td>-68</td>\n      <td>0.136752</td>\n      <td>False</td>\n      <td>52</td>\n      <td>49</td>\n      <td>1.0</td>\n      <td>False</td>\n      <td>78</td>\n    </tr>\n    <tr>\n      <th>118</th>\n      <td>2kby</td>\n      <td>O15350</td>\n      <td>O15350</td>\n      <td>0</td>\n      <td>1</td>\n      <td>B</td>\n      <td>1</td>\n      <td>C</td>\n      <td>human</td>\n      <td>ho</td>\n      <td>...</td>\n      <td>20081212</td>\n      <td>NaN</td>\n      <td>-67</td>\n      <td>0.136752</td>\n      <td>False</td>\n      <td>51</td>\n      <td>50</td>\n      <td>1.0</td>\n      <td>False</td>\n      <td>77</td>\n    </tr>\n    <tr>\n      <th>119</th>\n      <td>2kby</td>\n      <td>O15350</td>\n      <td>O15350</td>\n      <td>0</td>\n      <td>1</td>\n      <td>C</td>\n      <td>1</td>\n      <td>D</td>\n      <td>human</td>\n      <td>ho</td>\n      <td>...</td>\n      <td>20081212</td>\n      <td>NaN</td>\n      <td>-68</td>\n      <td>0.136752</td>\n      <td>False</td>\n      <td>52</td>\n      <td>51</td>\n      <td>1.0</td>\n      <td>False</td>\n      <td>75</td>\n    </tr>\n    <tr>\n      <th>120</th>\n      <td>2kby</td>\n      <td>O15350</td>\n      <td>O15350</td>\n      <td>0</td>\n      <td>1</td>\n      <td>B</td>\n      <td>1</td>\n      <td>D</td>\n      <td>human</td>\n      <td>ho</td>\n      <td>...</td>\n      <td>20081212</td>\n      <td>NaN</td>\n      <td>-68</td>\n      <td>0.136752</td>\n      <td>False</td>\n      <td>52</td>\n      <td>50</td>\n      <td>1.0</td>\n      <td>False</td>\n      <td>76</td>\n    </tr>\n    <tr>\n      <th>121</th>\n      <td>2nb1</td>\n      <td>O15350</td>\n      <td>O15350</td>\n      <td>1</td>\n      <td>1</td>\n      <td>B</td>\n      <td>1</td>\n      <td>D</td>\n      <td>human</td>\n      <td>ho</td>\n      <td>...</td>\n      <td>20160119</td>\n      <td>NaN</td>\n      <td>-68</td>\n      <td>0.136752</td>\n      <td>False</td>\n      <td>48</td>\n      <td>47</td>\n      <td>1.0</td>\n      <td>False</td>\n      <td>81</td>\n    </tr>\n  </tbody>\n</table>\n<p>122 rows × 104 columns</p>\n</div>"
     },
     "metadata": {},
     "execution_count": 7
    }
   ],
   "source": [
    "demo.pipe_select_ho().result()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "metadata": {},
   "outputs": [
    {
     "output_type": "execute_result",
     "data": {
      "text/plain": [
       "   pdb_id Entry_1 Entry_2  assembly_id  model_id_1 chain_id_1  model_id_2  \\\n",
       "0    2mps  Q00987  O15350            1           1          A           1   \n",
       "1    2mps  Q00987  O15350            1           1          A           1   \n",
       "2    2mps  Q00987  O15350            1           1          A           1   \n",
       "3    2mps  Q00987  O15350            1           1          A           1   \n",
       "4    2mps  Q00987  O15350            1           1          A           1   \n",
       "..    ...     ...     ...          ...         ...        ...         ...   \n",
       "60   2nb1  Q9H3D4  O15350            1           1          A           1   \n",
       "61   2nb1  Q9H3D4  O15350            1           1          A           1   \n",
       "62   2nb1  Q9H3D4  O15350            1           1          A           1   \n",
       "63   2nb1  Q9H3D4  O15350            1           1          A           1   \n",
       "64   2nb1  Q9H3D4  O15350            1           1          A           1   \n",
       "\n",
       "   chain_id_2 organism interaction_type  ... deposition_date_2  \\\n",
       "0           B    human               he  ...          20140602   \n",
       "1           B    human               he  ...          20140602   \n",
       "2           B    human               he  ...          20140602   \n",
       "3           B    human               he  ...          20140602   \n",
       "4           B    human               he  ...          20140602   \n",
       "..        ...      ...              ...  ...               ...   \n",
       "60          B    human               he  ...          20160119   \n",
       "61          B    human               he  ...          20160119   \n",
       "62          B    human               he  ...          20160119   \n",
       "63          B    human               he  ...          20160119   \n",
       "64          B    human               he  ...          20160119   \n",
       "\n",
       "    1/resolution_2 id_score_2  COV_SCORE_2  select_tag_2 select_rank_2  \\\n",
       "0              NaN        -66     0.015686         False           108   \n",
       "1              NaN        -66     0.015686         False           108   \n",
       "2              NaN        -66     0.015686         False           108   \n",
       "3              NaN        -66     0.015686         False           108   \n",
       "4              NaN        -66     0.015686         False           108   \n",
       "..             ...        ...          ...           ...           ...   \n",
       "60             NaN        -66     0.047059          True            47   \n",
       "61             NaN        -66     0.047059          True            47   \n",
       "62             NaN        -66     0.047059          True            47   \n",
       "63             NaN        -66     0.047059          True            47   \n",
       "64             NaN        -66     0.047059          True            47   \n",
       "\n",
       "   best_select_rank i_select_tag i_select_rank           i_group  \n",
       "0                 1        False             2  (O15350, Q00987)  \n",
       "1                 1        False             4  (O15350, Q00987)  \n",
       "2                -1        False            -1  (O15350, Q00987)  \n",
       "3                 1         True             1  (O15350, Q00987)  \n",
       "4                -1        False            -1  (O15350, Q00987)  \n",
       "..              ...          ...           ...               ...  \n",
       "60                1        False             3  (O15350, Q9H3D4)  \n",
       "61                1        False             9  (O15350, Q9H3D4)  \n",
       "62                1        False             5  (O15350, Q9H3D4)  \n",
       "63                1        False            11  (O15350, Q9H3D4)  \n",
       "64                1         True             1  (O15350, Q9H3D4)  \n",
       "\n",
       "[65 rows x 108 columns]"
      ],
      "text/html": "<div>\n<style scoped>\n    .dataframe tbody tr th:only-of-type {\n        vertical-align: middle;\n    }\n\n    .dataframe tbody tr th {\n        vertical-align: top;\n    }\n\n    .dataframe thead th {\n        text-align: right;\n    }\n</style>\n<table border=\"1\" class=\"dataframe\">\n  <thead>\n    <tr style=\"text-align: right;\">\n      <th></th>\n      <th>pdb_id</th>\n      <th>Entry_1</th>\n      <th>Entry_2</th>\n      <th>assembly_id</th>\n      <th>model_id_1</th>\n      <th>chain_id_1</th>\n      <th>model_id_2</th>\n      <th>chain_id_2</th>\n      <th>organism</th>\n      <th>interaction_type</th>\n      <th>...</th>\n      <th>deposition_date_2</th>\n      <th>1/resolution_2</th>\n      <th>id_score_2</th>\n      <th>COV_SCORE_2</th>\n      <th>select_tag_2</th>\n      <th>select_rank_2</th>\n      <th>best_select_rank</th>\n      <th>i_select_tag</th>\n      <th>i_select_rank</th>\n      <th>i_group</th>\n    </tr>\n  </thead>\n  <tbody>\n    <tr>\n      <th>0</th>\n      <td>2mps</td>\n      <td>Q00987</td>\n      <td>O15350</td>\n      <td>1</td>\n      <td>1</td>\n      <td>A</td>\n      <td>1</td>\n      <td>B</td>\n      <td>human</td>\n      <td>he</td>\n      <td>...</td>\n      <td>20140602</td>\n      <td>NaN</td>\n      <td>-66</td>\n      <td>0.015686</td>\n      <td>False</td>\n      <td>108</td>\n      <td>1</td>\n      <td>False</td>\n      <td>2</td>\n      <td>(O15350, Q00987)</td>\n    </tr>\n    <tr>\n      <th>1</th>\n      <td>2mps</td>\n      <td>Q00987</td>\n      <td>O15350</td>\n      <td>1</td>\n      <td>1</td>\n      <td>A</td>\n      <td>1</td>\n      <td>B</td>\n      <td>human</td>\n      <td>he</td>\n      <td>...</td>\n      <td>20140602</td>\n      <td>NaN</td>\n      <td>-66</td>\n      <td>0.015686</td>\n      <td>False</td>\n      <td>108</td>\n      <td>1</td>\n      <td>False</td>\n      <td>4</td>\n      <td>(O15350, Q00987)</td>\n    </tr>\n    <tr>\n      <th>2</th>\n      <td>2mps</td>\n      <td>Q00987</td>\n      <td>O15350</td>\n      <td>1</td>\n      <td>1</td>\n      <td>A</td>\n      <td>1</td>\n      <td>B</td>\n      <td>human</td>\n      <td>he</td>\n      <td>...</td>\n      <td>20140602</td>\n      <td>NaN</td>\n      <td>-66</td>\n      <td>0.015686</td>\n      <td>False</td>\n      <td>108</td>\n      <td>-1</td>\n      <td>False</td>\n      <td>-1</td>\n      <td>(O15350, Q00987)</td>\n    </tr>\n    <tr>\n      <th>3</th>\n      <td>2mps</td>\n      <td>Q00987</td>\n      <td>O15350</td>\n      <td>1</td>\n      <td>1</td>\n      <td>A</td>\n      <td>1</td>\n      <td>B</td>\n      <td>human</td>\n      <td>he</td>\n      <td>...</td>\n      <td>20140602</td>\n      <td>NaN</td>\n      <td>-66</td>\n      <td>0.015686</td>\n      <td>False</td>\n      <td>108</td>\n      <td>1</td>\n      <td>True</td>\n      <td>1</td>\n      <td>(O15350, Q00987)</td>\n    </tr>\n    <tr>\n      <th>4</th>\n      <td>2mps</td>\n      <td>Q00987</td>\n      <td>O15350</td>\n      <td>1</td>\n      <td>1</td>\n      <td>A</td>\n      <td>1</td>\n      <td>B</td>\n      <td>human</td>\n      <td>he</td>\n      <td>...</td>\n      <td>20140602</td>\n      <td>NaN</td>\n      <td>-66</td>\n      <td>0.015686</td>\n      <td>False</td>\n      <td>108</td>\n      <td>-1</td>\n      <td>False</td>\n      <td>-1</td>\n      <td>(O15350, Q00987)</td>\n    </tr>\n    <tr>\n      <th>...</th>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n    </tr>\n    <tr>\n      <th>60</th>\n      <td>2nb1</td>\n      <td>Q9H3D4</td>\n      <td>O15350</td>\n      <td>1</td>\n      <td>1</td>\n      <td>A</td>\n      <td>1</td>\n      <td>B</td>\n      <td>human</td>\n      <td>he</td>\n      <td>...</td>\n      <td>20160119</td>\n      <td>NaN</td>\n      <td>-66</td>\n      <td>0.047059</td>\n      <td>True</td>\n      <td>47</td>\n      <td>1</td>\n      <td>False</td>\n      <td>3</td>\n      <td>(O15350, Q9H3D4)</td>\n    </tr>\n    <tr>\n      <th>61</th>\n      <td>2nb1</td>\n      <td>Q9H3D4</td>\n      <td>O15350</td>\n      <td>1</td>\n      <td>1</td>\n      <td>A</td>\n      <td>1</td>\n      <td>B</td>\n      <td>human</td>\n      <td>he</td>\n      <td>...</td>\n      <td>20160119</td>\n      <td>NaN</td>\n      <td>-66</td>\n      <td>0.047059</td>\n      <td>True</td>\n      <td>47</td>\n      <td>1</td>\n      <td>False</td>\n      <td>9</td>\n      <td>(O15350, Q9H3D4)</td>\n    </tr>\n    <tr>\n      <th>62</th>\n      <td>2nb1</td>\n      <td>Q9H3D4</td>\n      <td>O15350</td>\n      <td>1</td>\n      <td>1</td>\n      <td>A</td>\n      <td>1</td>\n      <td>B</td>\n      <td>human</td>\n      <td>he</td>\n      <td>...</td>\n      <td>20160119</td>\n      <td>NaN</td>\n      <td>-66</td>\n      <td>0.047059</td>\n      <td>True</td>\n      <td>47</td>\n      <td>1</td>\n      <td>False</td>\n      <td>5</td>\n      <td>(O15350, Q9H3D4)</td>\n    </tr>\n    <tr>\n      <th>63</th>\n      <td>2nb1</td>\n      <td>Q9H3D4</td>\n      <td>O15350</td>\n      <td>1</td>\n      <td>1</td>\n      <td>A</td>\n      <td>1</td>\n      <td>B</td>\n      <td>human</td>\n      <td>he</td>\n      <td>...</td>\n      <td>20160119</td>\n      <td>NaN</td>\n      <td>-66</td>\n      <td>0.047059</td>\n      <td>True</td>\n      <td>47</td>\n      <td>1</td>\n      <td>False</td>\n      <td>11</td>\n      <td>(O15350, Q9H3D4)</td>\n    </tr>\n    <tr>\n      <th>64</th>\n      <td>2nb1</td>\n      <td>Q9H3D4</td>\n      <td>O15350</td>\n      <td>1</td>\n      <td>1</td>\n      <td>A</td>\n      <td>1</td>\n      <td>B</td>\n      <td>human</td>\n      <td>he</td>\n      <td>...</td>\n      <td>20160119</td>\n      <td>NaN</td>\n      <td>-66</td>\n      <td>0.047059</td>\n      <td>True</td>\n      <td>47</td>\n      <td>1</td>\n      <td>True</td>\n      <td>1</td>\n      <td>(O15350, Q9H3D4)</td>\n    </tr>\n  </tbody>\n</table>\n<p>65 rows × 108 columns</p>\n</div>"
     },
     "metadata": {},
     "execution_count": 8
    }
   ],
   "source": [
    "demo.pipe_select_he().result()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "metadata": {},
   "outputs": [
    {
     "output_type": "stream",
     "name": "stdout",
     "text": [
      "Wall time: 41.7 s\n"
     ]
    }
   ],
   "source": [
    "%time res = SIFTSs(('O15350', 'Q9H3D4')).fetch('pipe_select_mo').run().result()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "metadata": {},
   "outputs": [
    {
     "output_type": "execute_result",
     "data": {
      "text/plain": [
       "   UniProt chain_id  entity_id  identity  is_canonical pdb_id struct_asym_id  \\\n",
       "0   Q9H3D4        A          1      0.99          True   3us2              A   \n",
       "1   Q9H3D4        B          1      0.99          True   3us2              B   \n",
       "2   Q9H3D4        C          1      0.99          True   3us2              C   \n",
       "3   Q9H3D4        D          1      0.99          True   3us2              D   \n",
       "4   Q9H3D4        G          1      0.99          True   3us2              G   \n",
       "5   Q9H3D4        H          1      0.99          True   3us2              H   \n",
       "6   Q9H3D4        I          1      0.99          True   3us2              I   \n",
       "7   Q9H3D4        J          1      0.99          True   3us2              J   \n",
       "8   Q9H3D4        A          1      0.96          True   6fgn              A   \n",
       "9   Q9H3D4        A          1      1.00          True   3zy0              A   \n",
       "10  Q9H3D4        B          1      1.00          True   3zy0              B   \n",
       "11  Q9H3D4        C          1      1.00          True   3zy0              C   \n",
       "12  Q9H3D4        D          1      1.00          True   3zy0              D   \n",
       "13  Q9H3D4        A          1      1.00          True   3zy1              A   \n",
       "14  Q9H3D4        A          1      0.98          True   2rmn              A   \n",
       "15  Q9H3D4        A          1      0.99          True   3qym              A   \n",
       "16  Q9H3D4        B          1      0.99          True   3qym              B   \n",
       "17  Q9H3D4        C          1      0.99          True   3qym              C   \n",
       "18  Q9H3D4        D          1      0.99          True   3qym              D   \n",
       "19  Q9H3D4        E          1      0.99          True   3qym              E   \n",
       "20  Q9H3D4        F          1      0.99          True   3qym              F   \n",
       "21  Q9H3D4        G          1      0.99          True   3qym              G   \n",
       "22  Q9H3D4        H          1      0.99          True   3qym              H   \n",
       "23  Q9H3D4        A          1      0.98          True   2nb1              A   \n",
       "24  Q9H3D4        C          1      0.98          True   2nb1              C   \n",
       "25  Q9H3D4        A          1      1.00          True   2y9t              A   \n",
       "26  Q9H3D4        A          1      1.00          True   2y9u              A   \n",
       "27  Q9H3D4        A          1      0.99          True   3us1              A   \n",
       "28  Q9H3D4        D          1      0.99          True   3us1              B   \n",
       "29  Q9H3D4        A          1      0.99          True   3us0              A   \n",
       "30  Q9H3D4        B          1      0.99          True   3us0              B   \n",
       "31  Q9H3D4        C          1      0.99          True   3us0              C   \n",
       "32  Q9H3D4        D          1      0.99          True   3us0              D   \n",
       "33  Q9H3D4        E          2      0.92          True   6ru8              E   \n",
       "34  Q9H3D4        F          2      0.92          True   6ru8              F   \n",
       "35  Q9H3D4        G          2      0.92          True   6ru8              G   \n",
       "36  Q9H3D4        H          2      0.92          True   6ru8              H   \n",
       "37  Q9H3D4        A          1      1.00          True   4a9z              A   \n",
       "38  Q9H3D4        B          1      1.00          True   4a9z              B   \n",
       "39  Q9H3D4        C          1      1.00          True   4a9z              C   \n",
       "40  Q9H3D4        D          1      1.00          True   4a9z              D   \n",
       "41  Q9H3D4        A          1      0.99          True   3qyn              A   \n",
       "42  Q9H3D4        B          1      0.99          True   3qyn              B   \n",
       "43  Q9H3D4        C          1      0.99          True   3qyn              C   \n",
       "44  Q9H3D4        D          1      0.99          True   3qyn              D   \n",
       "45  Q9H3D4        C          2      0.94          True   6ru7              C   \n",
       "46  Q9H3D4        D          2      0.94          True   6ru7              D   \n",
       "47  Q9H3D4        C          2      0.92          True   6ru6              C   \n",
       "48  Q9H3D4        A          1      0.96          True   1rg6              A   \n",
       "\n",
       "     pdb_range    unp_range   Entry  ... experimental_method_class  \\\n",
       "0    [[7,203]]  [[166,362]]  Q9H3D4  ...                     x-ray   \n",
       "1    [[7,203]]  [[166,362]]  Q9H3D4  ...                     x-ray   \n",
       "2    [[7,203]]  [[166,362]]  Q9H3D4  ...                     x-ray   \n",
       "3    [[7,203]]  [[166,362]]  Q9H3D4  ...                     x-ray   \n",
       "4    [[7,203]]  [[166,362]]  Q9H3D4  ...                     x-ray   \n",
       "5    [[7,203]]  [[166,362]]  Q9H3D4  ...                     x-ray   \n",
       "6    [[7,203]]  [[166,362]]  Q9H3D4  ...                     x-ray   \n",
       "7    [[7,203]]  [[166,362]]  Q9H3D4  ...                     x-ray   \n",
       "8   [[98,124]]    [[47,73]]  Q9H3D4  ...                       nmr   \n",
       "9     [[3,32]]  [[398,427]]  Q9H3D4  ...                     x-ray   \n",
       "10    [[3,32]]  [[398,427]]  Q9H3D4  ...                     x-ray   \n",
       "11    [[3,32]]  [[398,427]]  Q9H3D4  ...                     x-ray   \n",
       "12    [[3,32]]  [[398,427]]  Q9H3D4  ...                     x-ray   \n",
       "13    [[3,46]]  [[398,441]]  Q9H3D4  ...                     x-ray   \n",
       "14   [[2,233]]  [[153,388]]  Q9H3D4  ...                       nmr   \n",
       "15   [[7,203]]  [[166,362]]  Q9H3D4  ...                     x-ray   \n",
       "16   [[7,203]]  [[166,362]]  Q9H3D4  ...                     x-ray   \n",
       "17   [[7,203]]  [[166,362]]  Q9H3D4  ...                     x-ray   \n",
       "18   [[7,203]]  [[166,362]]  Q9H3D4  ...                     x-ray   \n",
       "19   [[7,203]]  [[166,362]]  Q9H3D4  ...                     x-ray   \n",
       "20   [[7,203]]  [[166,362]]  Q9H3D4  ...                     x-ray   \n",
       "21   [[7,203]]  [[166,362]]  Q9H3D4  ...                     x-ray   \n",
       "22   [[7,203]]  [[166,362]]  Q9H3D4  ...                     x-ray   \n",
       "23    [[2,60]]  [[397,455]]  Q9H3D4  ...                       nmr   \n",
       "24    [[2,60]]  [[397,455]]  Q9H3D4  ...                       nmr   \n",
       "25    [[3,82]]  [[543,622]]  Q9H3D4  ...                       nmr   \n",
       "26    [[3,69]]  [[545,611]]  Q9H3D4  ...                     x-ray   \n",
       "27   [[7,203]]  [[166,362]]  Q9H3D4  ...                     x-ray   \n",
       "28   [[7,203]]  [[166,362]]  Q9H3D4  ...                     x-ray   \n",
       "29   [[7,203]]  [[166,362]]  Q9H3D4  ...                     x-ray   \n",
       "30   [[7,203]]  [[166,362]]  Q9H3D4  ...                     x-ray   \n",
       "31   [[7,203]]  [[166,362]]  Q9H3D4  ...                     x-ray   \n",
       "32   [[7,203]]  [[166,362]]  Q9H3D4  ...                     x-ray   \n",
       "33    [[1,12]]  [[621,632]]  Q9H3D4  ...                     x-ray   \n",
       "34    [[1,12]]  [[621,632]]  Q9H3D4  ...                     x-ray   \n",
       "35    [[1,12]]  [[621,632]]  Q9H3D4  ...                     x-ray   \n",
       "36    [[1,12]]  [[621,632]]  Q9H3D4  ...                     x-ray   \n",
       "37    [[3,61]]  [[397,455]]  Q9H3D4  ...                     x-ray   \n",
       "38    [[3,61]]  [[397,455]]  Q9H3D4  ...                     x-ray   \n",
       "39    [[3,61]]  [[397,455]]  Q9H3D4  ...                     x-ray   \n",
       "40    [[3,61]]  [[397,455]]  Q9H3D4  ...                     x-ray   \n",
       "41   [[7,203]]  [[166,362]]  Q9H3D4  ...                     x-ray   \n",
       "42   [[7,203]]  [[166,362]]  Q9H3D4  ...                     x-ray   \n",
       "43   [[7,203]]  [[166,362]]  Q9H3D4  ...                     x-ray   \n",
       "44   [[7,203]]  [[166,362]]  Q9H3D4  ...                     x-ray   \n",
       "45    [[1,16]]  [[618,633]]  Q9H3D4  ...                     x-ray   \n",
       "46    [[1,16]]  [[618,633]]  Q9H3D4  ...                     x-ray   \n",
       "47    [[1,13]]  [[618,630]]  Q9H3D4  ...                     x-ray   \n",
       "48    [[1,75]]  [[540,614]]  Q9H3D4  ...                       nmr   \n",
       "\n",
       "   experimental_method  multi_method  revision_date  deposition_date  \\\n",
       "0    X-ray diffraction         False       20171108         20111122   \n",
       "1    X-ray diffraction         False       20171108         20111122   \n",
       "2    X-ray diffraction         False       20171108         20111122   \n",
       "3    X-ray diffraction         False       20171108         20111122   \n",
       "4    X-ray diffraction         False       20171108         20111122   \n",
       "5    X-ray diffraction         False       20171108         20111122   \n",
       "6    X-ray diffraction         False       20171108         20111122   \n",
       "7    X-ray diffraction         False       20171108         20111122   \n",
       "8         Solution NMR         False       20180822         20180111   \n",
       "9    X-ray diffraction         False       20190508         20110816   \n",
       "10   X-ray diffraction         False       20190508         20110816   \n",
       "11   X-ray diffraction         False       20190508         20110816   \n",
       "12   X-ray diffraction         False       20190508         20110816   \n",
       "13   X-ray diffraction         False       20190508         20110816   \n",
       "14        Solution NMR         False       20160907         20071101   \n",
       "15   X-ray diffraction         False       20110713         20110303   \n",
       "16   X-ray diffraction         False       20110713         20110303   \n",
       "17   X-ray diffraction         False       20110713         20110303   \n",
       "18   X-ray diffraction         False       20110713         20110303   \n",
       "19   X-ray diffraction         False       20110713         20110303   \n",
       "20   X-ray diffraction         False       20110713         20110303   \n",
       "21   X-ray diffraction         False       20110713         20110303   \n",
       "22   X-ray diffraction         False       20110713         20110303   \n",
       "23        Solution NMR         False       20171122         20160119   \n",
       "24        Solution NMR         False       20171122         20160119   \n",
       "25        Solution NMR         False       20180124         20110216   \n",
       "26   X-ray diffraction         False       20180124         20110216   \n",
       "27   X-ray diffraction         False       20171108         20111122   \n",
       "28   X-ray diffraction         False       20171108         20111122   \n",
       "29   X-ray diffraction         False       20171108         20111122   \n",
       "30   X-ray diffraction         False       20171108         20111122   \n",
       "31   X-ray diffraction         False       20171108         20111122   \n",
       "32   X-ray diffraction         False       20171108         20111122   \n",
       "33   X-ray diffraction         False       20200930         20190527   \n",
       "34   X-ray diffraction         False       20200930         20190527   \n",
       "35   X-ray diffraction         False       20200930         20190527   \n",
       "36   X-ray diffraction         False       20200930         20190527   \n",
       "37   X-ray diffraction         False       20180124         20111130   \n",
       "38   X-ray diffraction         False       20180124         20111130   \n",
       "39   X-ray diffraction         False       20180124         20111130   \n",
       "40   X-ray diffraction         False       20180124         20111130   \n",
       "41   X-ray diffraction         False       20110713         20110303   \n",
       "42   X-ray diffraction         False       20110713         20110303   \n",
       "43   X-ray diffraction         False       20110713         20110303   \n",
       "44   X-ray diffraction         False       20110713         20110303   \n",
       "45   X-ray diffraction         False       20200930         20190527   \n",
       "46   X-ray diffraction         False       20200930         20190527   \n",
       "47   X-ray diffraction         False       20200930         20190527   \n",
       "48        Solution NMR         False       20110713         20031111   \n",
       "\n",
       "   1/resolution id_score COV_SCORE  select_tag select_rank  \n",
       "0      0.238095      -65  0.432151       False          11  \n",
       "1      0.238095      -66  0.364415       False          24  \n",
       "2      0.238095      -67  0.432151       False          12  \n",
       "3      0.238095      -68  0.364415       False          25  \n",
       "4      0.238095      -71  0.432151       False          13  \n",
       "5      0.238095      -72  0.364415       False          26  \n",
       "6      0.238095      -73  0.432151       False          14  \n",
       "7      0.238095      -74  0.364415       False          27  \n",
       "8           NaN      -65 -0.186893       False          -1  \n",
       "9      0.526316      -65  0.067961       False          35  \n",
       "10     0.526316      -66  0.054414       False          37  \n",
       "11     0.526316      -67  0.054414       False          38  \n",
       "12     0.526316      -68  0.040867       False          40  \n",
       "13     0.465116      -65  0.079702       False          34  \n",
       "14          NaN      -65  0.508513        True           1  \n",
       "15     0.312500      -65  0.425378       False          15  \n",
       "16     0.312500      -66  0.425378       False          16  \n",
       "17     0.312500      -67  0.445699       False           7  \n",
       "18     0.312500      -68  0.445699       False           8  \n",
       "19     0.312500      -69  0.452472       False           2  \n",
       "20     0.312500      -70  0.445699       False           9  \n",
       "21     0.312500      -71  0.418604       False          19  \n",
       "22     0.312500      -72  0.411831       False          21  \n",
       "23          NaN      -65  0.143204        True          30  \n",
       "24          NaN      -67  0.143204       False          31  \n",
       "25          NaN      -65  0.194175        True          28  \n",
       "26     0.625000      -65  0.145631       False          29  \n",
       "27     0.357143      -65  0.432151       False          10  \n",
       "28     0.357143      -68  0.364415       False          23  \n",
       "29     0.400000      -65  0.445699       False           3  \n",
       "30     0.400000      -66  0.418604       False          17  \n",
       "31     0.400000      -67  0.445699       False           4  \n",
       "32     0.400000      -68  0.411831       False          20  \n",
       "33     0.520833      -69 -0.013233       False          -1  \n",
       "34     0.520833      -70 -0.006863       False          -1  \n",
       "35     0.520833      -71 -0.020007       False          -1  \n",
       "36     0.520833      -72 -0.020007       False          -1  \n",
       "37     0.436681      -65  0.059493       False          36  \n",
       "38     0.436681      -66  0.048373       False          39  \n",
       "39     0.436681      -67  0.136430       False          32  \n",
       "40     0.436681      -68  0.039173       False          41  \n",
       "41     0.400000      -65  0.445699       False           5  \n",
       "42     0.400000      -66  0.418604       False          18  \n",
       "43     0.400000      -67  0.445699       False           6  \n",
       "44     0.400000      -68  0.398283       False          22  \n",
       "45     0.480769      -67  0.005676       False          42  \n",
       "46     0.480769      -68 -0.000694       False          -1  \n",
       "47     0.487805      -67 -0.011919       False          -1  \n",
       "48          NaN      -65  0.127850       False          33  \n",
       "\n",
       "[49 rows x 48 columns]"
      ],
      "text/html": "<div>\n<style scoped>\n    .dataframe tbody tr th:only-of-type {\n        vertical-align: middle;\n    }\n\n    .dataframe tbody tr th {\n        vertical-align: top;\n    }\n\n    .dataframe thead th {\n        text-align: right;\n    }\n</style>\n<table border=\"1\" class=\"dataframe\">\n  <thead>\n    <tr style=\"text-align: right;\">\n      <th></th>\n      <th>UniProt</th>\n      <th>chain_id</th>\n      <th>entity_id</th>\n      <th>identity</th>\n      <th>is_canonical</th>\n      <th>pdb_id</th>\n      <th>struct_asym_id</th>\n      <th>pdb_range</th>\n      <th>unp_range</th>\n      <th>Entry</th>\n      <th>...</th>\n      <th>experimental_method_class</th>\n      <th>experimental_method</th>\n      <th>multi_method</th>\n      <th>revision_date</th>\n      <th>deposition_date</th>\n      <th>1/resolution</th>\n      <th>id_score</th>\n      <th>COV_SCORE</th>\n      <th>select_tag</th>\n      <th>select_rank</th>\n    </tr>\n  </thead>\n  <tbody>\n    <tr>\n      <th>0</th>\n      <td>Q9H3D4</td>\n      <td>A</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3us2</td>\n      <td>A</td>\n      <td>[[7,203]]</td>\n      <td>[[166,362]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20171108</td>\n      <td>20111122</td>\n      <td>0.238095</td>\n      <td>-65</td>\n      <td>0.432151</td>\n      <td>False</td>\n      <td>11</td>\n    </tr>\n    <tr>\n      <th>1</th>\n      <td>Q9H3D4</td>\n      <td>B</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3us2</td>\n      <td>B</td>\n      <td>[[7,203]]</td>\n      <td>[[166,362]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20171108</td>\n      <td>20111122</td>\n      <td>0.238095</td>\n      <td>-66</td>\n      <td>0.364415</td>\n      <td>False</td>\n      <td>24</td>\n    </tr>\n    <tr>\n      <th>2</th>\n      <td>Q9H3D4</td>\n      <td>C</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3us2</td>\n      <td>C</td>\n      <td>[[7,203]]</td>\n      <td>[[166,362]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20171108</td>\n      <td>20111122</td>\n      <td>0.238095</td>\n      <td>-67</td>\n      <td>0.432151</td>\n      <td>False</td>\n      <td>12</td>\n    </tr>\n    <tr>\n      <th>3</th>\n      <td>Q9H3D4</td>\n      <td>D</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3us2</td>\n      <td>D</td>\n      <td>[[7,203]]</td>\n      <td>[[166,362]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20171108</td>\n      <td>20111122</td>\n      <td>0.238095</td>\n      <td>-68</td>\n      <td>0.364415</td>\n      <td>False</td>\n      <td>25</td>\n    </tr>\n    <tr>\n      <th>4</th>\n      <td>Q9H3D4</td>\n      <td>G</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3us2</td>\n      <td>G</td>\n      <td>[[7,203]]</td>\n      <td>[[166,362]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20171108</td>\n      <td>20111122</td>\n      <td>0.238095</td>\n      <td>-71</td>\n      <td>0.432151</td>\n      <td>False</td>\n      <td>13</td>\n    </tr>\n    <tr>\n      <th>5</th>\n      <td>Q9H3D4</td>\n      <td>H</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3us2</td>\n      <td>H</td>\n      <td>[[7,203]]</td>\n      <td>[[166,362]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20171108</td>\n      <td>20111122</td>\n      <td>0.238095</td>\n      <td>-72</td>\n      <td>0.364415</td>\n      <td>False</td>\n      <td>26</td>\n    </tr>\n    <tr>\n      <th>6</th>\n      <td>Q9H3D4</td>\n      <td>I</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3us2</td>\n      <td>I</td>\n      <td>[[7,203]]</td>\n      <td>[[166,362]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20171108</td>\n      <td>20111122</td>\n      <td>0.238095</td>\n      <td>-73</td>\n      <td>0.432151</td>\n      <td>False</td>\n      <td>14</td>\n    </tr>\n    <tr>\n      <th>7</th>\n      <td>Q9H3D4</td>\n      <td>J</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3us2</td>\n      <td>J</td>\n      <td>[[7,203]]</td>\n      <td>[[166,362]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20171108</td>\n      <td>20111122</td>\n      <td>0.238095</td>\n      <td>-74</td>\n      <td>0.364415</td>\n      <td>False</td>\n      <td>27</td>\n    </tr>\n    <tr>\n      <th>8</th>\n      <td>Q9H3D4</td>\n      <td>A</td>\n      <td>1</td>\n      <td>0.96</td>\n      <td>True</td>\n      <td>6fgn</td>\n      <td>A</td>\n      <td>[[98,124]]</td>\n      <td>[[47,73]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>nmr</td>\n      <td>Solution NMR</td>\n      <td>False</td>\n      <td>20180822</td>\n      <td>20180111</td>\n      <td>NaN</td>\n      <td>-65</td>\n      <td>-0.186893</td>\n      <td>False</td>\n      <td>-1</td>\n    </tr>\n    <tr>\n      <th>9</th>\n      <td>Q9H3D4</td>\n      <td>A</td>\n      <td>1</td>\n      <td>1.00</td>\n      <td>True</td>\n      <td>3zy0</td>\n      <td>A</td>\n      <td>[[3,32]]</td>\n      <td>[[398,427]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20190508</td>\n      <td>20110816</td>\n      <td>0.526316</td>\n      <td>-65</td>\n      <td>0.067961</td>\n      <td>False</td>\n      <td>35</td>\n    </tr>\n    <tr>\n      <th>10</th>\n      <td>Q9H3D4</td>\n      <td>B</td>\n      <td>1</td>\n      <td>1.00</td>\n      <td>True</td>\n      <td>3zy0</td>\n      <td>B</td>\n      <td>[[3,32]]</td>\n      <td>[[398,427]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20190508</td>\n      <td>20110816</td>\n      <td>0.526316</td>\n      <td>-66</td>\n      <td>0.054414</td>\n      <td>False</td>\n      <td>37</td>\n    </tr>\n    <tr>\n      <th>11</th>\n      <td>Q9H3D4</td>\n      <td>C</td>\n      <td>1</td>\n      <td>1.00</td>\n      <td>True</td>\n      <td>3zy0</td>\n      <td>C</td>\n      <td>[[3,32]]</td>\n      <td>[[398,427]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20190508</td>\n      <td>20110816</td>\n      <td>0.526316</td>\n      <td>-67</td>\n      <td>0.054414</td>\n      <td>False</td>\n      <td>38</td>\n    </tr>\n    <tr>\n      <th>12</th>\n      <td>Q9H3D4</td>\n      <td>D</td>\n      <td>1</td>\n      <td>1.00</td>\n      <td>True</td>\n      <td>3zy0</td>\n      <td>D</td>\n      <td>[[3,32]]</td>\n      <td>[[398,427]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20190508</td>\n      <td>20110816</td>\n      <td>0.526316</td>\n      <td>-68</td>\n      <td>0.040867</td>\n      <td>False</td>\n      <td>40</td>\n    </tr>\n    <tr>\n      <th>13</th>\n      <td>Q9H3D4</td>\n      <td>A</td>\n      <td>1</td>\n      <td>1.00</td>\n      <td>True</td>\n      <td>3zy1</td>\n      <td>A</td>\n      <td>[[3,46]]</td>\n      <td>[[398,441]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20190508</td>\n      <td>20110816</td>\n      <td>0.465116</td>\n      <td>-65</td>\n      <td>0.079702</td>\n      <td>False</td>\n      <td>34</td>\n    </tr>\n    <tr>\n      <th>14</th>\n      <td>Q9H3D4</td>\n      <td>A</td>\n      <td>1</td>\n      <td>0.98</td>\n      <td>True</td>\n      <td>2rmn</td>\n      <td>A</td>\n      <td>[[2,233]]</td>\n      <td>[[153,388]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>nmr</td>\n      <td>Solution NMR</td>\n      <td>False</td>\n      <td>20160907</td>\n      <td>20071101</td>\n      <td>NaN</td>\n      <td>-65</td>\n      <td>0.508513</td>\n      <td>True</td>\n      <td>1</td>\n    </tr>\n    <tr>\n      <th>15</th>\n      <td>Q9H3D4</td>\n      <td>A</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3qym</td>\n      <td>A</td>\n      <td>[[7,203]]</td>\n      <td>[[166,362]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20110713</td>\n      <td>20110303</td>\n      <td>0.312500</td>\n      <td>-65</td>\n      <td>0.425378</td>\n      <td>False</td>\n      <td>15</td>\n    </tr>\n    <tr>\n      <th>16</th>\n      <td>Q9H3D4</td>\n      <td>B</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3qym</td>\n      <td>B</td>\n      <td>[[7,203]]</td>\n      <td>[[166,362]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20110713</td>\n      <td>20110303</td>\n      <td>0.312500</td>\n      <td>-66</td>\n      <td>0.425378</td>\n      <td>False</td>\n      <td>16</td>\n    </tr>\n    <tr>\n      <th>17</th>\n      <td>Q9H3D4</td>\n      <td>C</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3qym</td>\n      <td>C</td>\n      <td>[[7,203]]</td>\n      <td>[[166,362]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20110713</td>\n      <td>20110303</td>\n      <td>0.312500</td>\n      <td>-67</td>\n      <td>0.445699</td>\n      <td>False</td>\n      <td>7</td>\n    </tr>\n    <tr>\n      <th>18</th>\n      <td>Q9H3D4</td>\n      <td>D</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3qym</td>\n      <td>D</td>\n      <td>[[7,203]]</td>\n      <td>[[166,362]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20110713</td>\n      <td>20110303</td>\n      <td>0.312500</td>\n      <td>-68</td>\n      <td>0.445699</td>\n      <td>False</td>\n      <td>8</td>\n    </tr>\n    <tr>\n      <th>19</th>\n      <td>Q9H3D4</td>\n      <td>E</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3qym</td>\n      <td>E</td>\n      <td>[[7,203]]</td>\n      <td>[[166,362]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20110713</td>\n      <td>20110303</td>\n      <td>0.312500</td>\n      <td>-69</td>\n      <td>0.452472</td>\n      <td>False</td>\n      <td>2</td>\n    </tr>\n    <tr>\n      <th>20</th>\n      <td>Q9H3D4</td>\n      <td>F</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3qym</td>\n      <td>F</td>\n      <td>[[7,203]]</td>\n      <td>[[166,362]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20110713</td>\n      <td>20110303</td>\n      <td>0.312500</td>\n      <td>-70</td>\n      <td>0.445699</td>\n      <td>False</td>\n      <td>9</td>\n    </tr>\n    <tr>\n      <th>21</th>\n      <td>Q9H3D4</td>\n      <td>G</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3qym</td>\n      <td>G</td>\n      <td>[[7,203]]</td>\n      <td>[[166,362]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20110713</td>\n      <td>20110303</td>\n      <td>0.312500</td>\n      <td>-71</td>\n      <td>0.418604</td>\n      <td>False</td>\n      <td>19</td>\n    </tr>\n    <tr>\n      <th>22</th>\n      <td>Q9H3D4</td>\n      <td>H</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3qym</td>\n      <td>H</td>\n      <td>[[7,203]]</td>\n      <td>[[166,362]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20110713</td>\n      <td>20110303</td>\n      <td>0.312500</td>\n      <td>-72</td>\n      <td>0.411831</td>\n      <td>False</td>\n      <td>21</td>\n    </tr>\n    <tr>\n      <th>23</th>\n      <td>Q9H3D4</td>\n      <td>A</td>\n      <td>1</td>\n      <td>0.98</td>\n      <td>True</td>\n      <td>2nb1</td>\n      <td>A</td>\n      <td>[[2,60]]</td>\n      <td>[[397,455]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>nmr</td>\n      <td>Solution NMR</td>\n      <td>False</td>\n      <td>20171122</td>\n      <td>20160119</td>\n      <td>NaN</td>\n      <td>-65</td>\n      <td>0.143204</td>\n      <td>True</td>\n      <td>30</td>\n    </tr>\n    <tr>\n      <th>24</th>\n      <td>Q9H3D4</td>\n      <td>C</td>\n      <td>1</td>\n      <td>0.98</td>\n      <td>True</td>\n      <td>2nb1</td>\n      <td>C</td>\n      <td>[[2,60]]</td>\n      <td>[[397,455]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>nmr</td>\n      <td>Solution NMR</td>\n      <td>False</td>\n      <td>20171122</td>\n      <td>20160119</td>\n      <td>NaN</td>\n      <td>-67</td>\n      <td>0.143204</td>\n      <td>False</td>\n      <td>31</td>\n    </tr>\n    <tr>\n      <th>25</th>\n      <td>Q9H3D4</td>\n      <td>A</td>\n      <td>1</td>\n      <td>1.00</td>\n      <td>True</td>\n      <td>2y9t</td>\n      <td>A</td>\n      <td>[[3,82]]</td>\n      <td>[[543,622]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>nmr</td>\n      <td>Solution NMR</td>\n      <td>False</td>\n      <td>20180124</td>\n      <td>20110216</td>\n      <td>NaN</td>\n      <td>-65</td>\n      <td>0.194175</td>\n      <td>True</td>\n      <td>28</td>\n    </tr>\n    <tr>\n      <th>26</th>\n      <td>Q9H3D4</td>\n      <td>A</td>\n      <td>1</td>\n      <td>1.00</td>\n      <td>True</td>\n      <td>2y9u</td>\n      <td>A</td>\n      <td>[[3,69]]</td>\n      <td>[[545,611]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20180124</td>\n      <td>20110216</td>\n      <td>0.625000</td>\n      <td>-65</td>\n      <td>0.145631</td>\n      <td>False</td>\n      <td>29</td>\n    </tr>\n    <tr>\n      <th>27</th>\n      <td>Q9H3D4</td>\n      <td>A</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3us1</td>\n      <td>A</td>\n      <td>[[7,203]]</td>\n      <td>[[166,362]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20171108</td>\n      <td>20111122</td>\n      <td>0.357143</td>\n      <td>-65</td>\n      <td>0.432151</td>\n      <td>False</td>\n      <td>10</td>\n    </tr>\n    <tr>\n      <th>28</th>\n      <td>Q9H3D4</td>\n      <td>D</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3us1</td>\n      <td>B</td>\n      <td>[[7,203]]</td>\n      <td>[[166,362]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20171108</td>\n      <td>20111122</td>\n      <td>0.357143</td>\n      <td>-68</td>\n      <td>0.364415</td>\n      <td>False</td>\n      <td>23</td>\n    </tr>\n    <tr>\n      <th>29</th>\n      <td>Q9H3D4</td>\n      <td>A</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3us0</td>\n      <td>A</td>\n      <td>[[7,203]]</td>\n      <td>[[166,362]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20171108</td>\n      <td>20111122</td>\n      <td>0.400000</td>\n      <td>-65</td>\n      <td>0.445699</td>\n      <td>False</td>\n      <td>3</td>\n    </tr>\n    <tr>\n      <th>30</th>\n      <td>Q9H3D4</td>\n      <td>B</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3us0</td>\n      <td>B</td>\n      <td>[[7,203]]</td>\n      <td>[[166,362]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20171108</td>\n      <td>20111122</td>\n      <td>0.400000</td>\n      <td>-66</td>\n      <td>0.418604</td>\n      <td>False</td>\n      <td>17</td>\n    </tr>\n    <tr>\n      <th>31</th>\n      <td>Q9H3D4</td>\n      <td>C</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3us0</td>\n      <td>C</td>\n      <td>[[7,203]]</td>\n      <td>[[166,362]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20171108</td>\n      <td>20111122</td>\n      <td>0.400000</td>\n      <td>-67</td>\n      <td>0.445699</td>\n      <td>False</td>\n      <td>4</td>\n    </tr>\n    <tr>\n      <th>32</th>\n      <td>Q9H3D4</td>\n      <td>D</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3us0</td>\n      <td>D</td>\n      <td>[[7,203]]</td>\n      <td>[[166,362]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20171108</td>\n      <td>20111122</td>\n      <td>0.400000</td>\n      <td>-68</td>\n      <td>0.411831</td>\n      <td>False</td>\n      <td>20</td>\n    </tr>\n    <tr>\n      <th>33</th>\n      <td>Q9H3D4</td>\n      <td>E</td>\n      <td>2</td>\n      <td>0.92</td>\n      <td>True</td>\n      <td>6ru8</td>\n      <td>E</td>\n      <td>[[1,12]]</td>\n      <td>[[621,632]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20200930</td>\n      <td>20190527</td>\n      <td>0.520833</td>\n      <td>-69</td>\n      <td>-0.013233</td>\n      <td>False</td>\n      <td>-1</td>\n    </tr>\n    <tr>\n      <th>34</th>\n      <td>Q9H3D4</td>\n      <td>F</td>\n      <td>2</td>\n      <td>0.92</td>\n      <td>True</td>\n      <td>6ru8</td>\n      <td>F</td>\n      <td>[[1,12]]</td>\n      <td>[[621,632]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20200930</td>\n      <td>20190527</td>\n      <td>0.520833</td>\n      <td>-70</td>\n      <td>-0.006863</td>\n      <td>False</td>\n      <td>-1</td>\n    </tr>\n    <tr>\n      <th>35</th>\n      <td>Q9H3D4</td>\n      <td>G</td>\n      <td>2</td>\n      <td>0.92</td>\n      <td>True</td>\n      <td>6ru8</td>\n      <td>G</td>\n      <td>[[1,12]]</td>\n      <td>[[621,632]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20200930</td>\n      <td>20190527</td>\n      <td>0.520833</td>\n      <td>-71</td>\n      <td>-0.020007</td>\n      <td>False</td>\n      <td>-1</td>\n    </tr>\n    <tr>\n      <th>36</th>\n      <td>Q9H3D4</td>\n      <td>H</td>\n      <td>2</td>\n      <td>0.92</td>\n      <td>True</td>\n      <td>6ru8</td>\n      <td>H</td>\n      <td>[[1,12]]</td>\n      <td>[[621,632]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20200930</td>\n      <td>20190527</td>\n      <td>0.520833</td>\n      <td>-72</td>\n      <td>-0.020007</td>\n      <td>False</td>\n      <td>-1</td>\n    </tr>\n    <tr>\n      <th>37</th>\n      <td>Q9H3D4</td>\n      <td>A</td>\n      <td>1</td>\n      <td>1.00</td>\n      <td>True</td>\n      <td>4a9z</td>\n      <td>A</td>\n      <td>[[3,61]]</td>\n      <td>[[397,455]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20180124</td>\n      <td>20111130</td>\n      <td>0.436681</td>\n      <td>-65</td>\n      <td>0.059493</td>\n      <td>False</td>\n      <td>36</td>\n    </tr>\n    <tr>\n      <th>38</th>\n      <td>Q9H3D4</td>\n      <td>B</td>\n      <td>1</td>\n      <td>1.00</td>\n      <td>True</td>\n      <td>4a9z</td>\n      <td>B</td>\n      <td>[[3,61]]</td>\n      <td>[[397,455]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20180124</td>\n      <td>20111130</td>\n      <td>0.436681</td>\n      <td>-66</td>\n      <td>0.048373</td>\n      <td>False</td>\n      <td>39</td>\n    </tr>\n    <tr>\n      <th>39</th>\n      <td>Q9H3D4</td>\n      <td>C</td>\n      <td>1</td>\n      <td>1.00</td>\n      <td>True</td>\n      <td>4a9z</td>\n      <td>C</td>\n      <td>[[3,61]]</td>\n      <td>[[397,455]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20180124</td>\n      <td>20111130</td>\n      <td>0.436681</td>\n      <td>-67</td>\n      <td>0.136430</td>\n      <td>False</td>\n      <td>32</td>\n    </tr>\n    <tr>\n      <th>40</th>\n      <td>Q9H3D4</td>\n      <td>D</td>\n      <td>1</td>\n      <td>1.00</td>\n      <td>True</td>\n      <td>4a9z</td>\n      <td>D</td>\n      <td>[[3,61]]</td>\n      <td>[[397,455]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20180124</td>\n      <td>20111130</td>\n      <td>0.436681</td>\n      <td>-68</td>\n      <td>0.039173</td>\n      <td>False</td>\n      <td>41</td>\n    </tr>\n    <tr>\n      <th>41</th>\n      <td>Q9H3D4</td>\n      <td>A</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3qyn</td>\n      <td>A</td>\n      <td>[[7,203]]</td>\n      <td>[[166,362]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20110713</td>\n      <td>20110303</td>\n      <td>0.400000</td>\n      <td>-65</td>\n      <td>0.445699</td>\n      <td>False</td>\n      <td>5</td>\n    </tr>\n    <tr>\n      <th>42</th>\n      <td>Q9H3D4</td>\n      <td>B</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3qyn</td>\n      <td>B</td>\n      <td>[[7,203]]</td>\n      <td>[[166,362]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20110713</td>\n      <td>20110303</td>\n      <td>0.400000</td>\n      <td>-66</td>\n      <td>0.418604</td>\n      <td>False</td>\n      <td>18</td>\n    </tr>\n    <tr>\n      <th>43</th>\n      <td>Q9H3D4</td>\n      <td>C</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3qyn</td>\n      <td>C</td>\n      <td>[[7,203]]</td>\n      <td>[[166,362]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20110713</td>\n      <td>20110303</td>\n      <td>0.400000</td>\n      <td>-67</td>\n      <td>0.445699</td>\n      <td>False</td>\n      <td>6</td>\n    </tr>\n    <tr>\n      <th>44</th>\n      <td>Q9H3D4</td>\n      <td>D</td>\n      <td>1</td>\n      <td>0.99</td>\n      <td>True</td>\n      <td>3qyn</td>\n      <td>D</td>\n      <td>[[7,203]]</td>\n      <td>[[166,362]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20110713</td>\n      <td>20110303</td>\n      <td>0.400000</td>\n      <td>-68</td>\n      <td>0.398283</td>\n      <td>False</td>\n      <td>22</td>\n    </tr>\n    <tr>\n      <th>45</th>\n      <td>Q9H3D4</td>\n      <td>C</td>\n      <td>2</td>\n      <td>0.94</td>\n      <td>True</td>\n      <td>6ru7</td>\n      <td>C</td>\n      <td>[[1,16]]</td>\n      <td>[[618,633]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20200930</td>\n      <td>20190527</td>\n      <td>0.480769</td>\n      <td>-67</td>\n      <td>0.005676</td>\n      <td>False</td>\n      <td>42</td>\n    </tr>\n    <tr>\n      <th>46</th>\n      <td>Q9H3D4</td>\n      <td>D</td>\n      <td>2</td>\n      <td>0.94</td>\n      <td>True</td>\n      <td>6ru7</td>\n      <td>D</td>\n      <td>[[1,16]]</td>\n      <td>[[618,633]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20200930</td>\n      <td>20190527</td>\n      <td>0.480769</td>\n      <td>-68</td>\n      <td>-0.000694</td>\n      <td>False</td>\n      <td>-1</td>\n    </tr>\n    <tr>\n      <th>47</th>\n      <td>Q9H3D4</td>\n      <td>C</td>\n      <td>2</td>\n      <td>0.92</td>\n      <td>True</td>\n      <td>6ru6</td>\n      <td>C</td>\n      <td>[[1,13]]</td>\n      <td>[[618,630]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>x-ray</td>\n      <td>X-ray diffraction</td>\n      <td>False</td>\n      <td>20200930</td>\n      <td>20190527</td>\n      <td>0.487805</td>\n      <td>-67</td>\n      <td>-0.011919</td>\n      <td>False</td>\n      <td>-1</td>\n    </tr>\n    <tr>\n      <th>48</th>\n      <td>Q9H3D4</td>\n      <td>A</td>\n      <td>1</td>\n      <td>0.96</td>\n      <td>True</td>\n      <td>1rg6</td>\n      <td>A</td>\n      <td>[[1,75]]</td>\n      <td>[[540,614]]</td>\n      <td>Q9H3D4</td>\n      <td>...</td>\n      <td>nmr</td>\n      <td>Solution NMR</td>\n      <td>False</td>\n      <td>20110713</td>\n      <td>20031111</td>\n      <td>NaN</td>\n      <td>-65</td>\n      <td>0.127850</td>\n      <td>False</td>\n      <td>33</td>\n    </tr>\n  </tbody>\n</table>\n<p>49 rows × 48 columns</p>\n</div>"
     },
     "metadata": {},
     "execution_count": 13
    }
   ],
   "source": [
    "res[1]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
 ]
}